HMDB0036958 RDKit 3D Quillaic acid 3-[galactosyl-(1->2)-[xylosyl-(1->3)]-glucuronide] 28-[glucosyl... 222233 0 0 0 0 0 0 0 0999 V2000 4.4452 6.2086 -1.7657 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5273 4.9604 -2.5911 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6482 5.0663 -3.8181 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4718 3.7241 -1.9906 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5427 2.4834 -2.7332 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2988 1.6862 -2.5518 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6425 1.5349 -3.9392 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4701 0.4344 -2.0757 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2253 0.2969 -0.9542 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6589 0.8899 0.2035 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1827 0.1445 1.2602 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2954 -1.1115 1.0517 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5977 0.5628 2.5318 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7859 1.0305 3.4002 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7797 2.4769 3.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4777 3.3964 2.5545 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2055 4.7659 3.1839 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7399 3.5482 1.7419 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2884 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